CID 210835

1,2,4-thiadiazole, 3-methyl-5-(phenylsulfonyl)-

Structural Information

Molecular Formula
C9H8N2O2S2
SMILES
CC1=NSC(=N1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2O2S2/c1-7-10-9(14-11-7)15(12,13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
OIFYWUASVHJXSK-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)-3-methyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.00272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01000 150.0
[M+Na]+ 262.99194 161.5
[M-H]- 238.99544 155.2
[M+NH4]+ 258.03654 167.8
[M+K]+ 278.96588 156.9
[M+H-H2O]+ 222.99998 143.8
[M+HCOO]- 285.00092 163.2
[M+CH3COO]- 299.01657 184.9
[M+Na-2H]- 260.97739 152.3
[M]+ 240.00217 153.7
[M]- 240.00327 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe